USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -158:sc= 0.788 (180deg=0.458) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 13 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.2) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc=-0.00412 (180deg=-0.0781) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= 0.251 (180deg=-0.139) USER MOD Single : A 24 SER OG : rot 180:sc= 0.1 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.29) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.848 (180deg=-2.1!) USER MOD Single : A 32 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.183 -3.614 -1.817 1.00 0.00 N ATOM 2 CA ASP A 1 -10.168 -4.514 -2.369 1.00 0.00 C ATOM 3 C ASP A 1 -8.817 -3.987 -1.980 1.00 0.00 C ATOM 4 O ASP A 1 -8.651 -2.784 -1.832 1.00 0.00 O ATOM 5 CB ASP A 1 -10.290 -4.580 -3.903 1.00 0.00 C ATOM 6 CG ASP A 1 -10.043 -3.241 -4.584 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.597 -2.209 -4.120 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.342 -3.199 -5.616 1.00 0.00 O ATOM 0 H1 ASP A 1 -12.089 -4.119 -1.738 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.884 -3.290 -0.875 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.298 -2.793 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.307 -5.521 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.579 -5.312 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.286 -4.936 -4.167 1.00 0.00 H new ATOM 15 N CYS A 2 -7.860 -4.854 -1.773 1.00 0.00 N ATOM 16 CA CYS A 2 -6.554 -4.394 -1.375 1.00 0.00 C ATOM 17 C CYS A 2 -5.739 -4.022 -2.589 1.00 0.00 C ATOM 18 O CYS A 2 -5.946 -4.563 -3.682 1.00 0.00 O ATOM 19 CB CYS A 2 -5.822 -5.420 -0.501 1.00 0.00 C ATOM 20 SG CYS A 2 -5.572 -7.063 -1.259 1.00 0.00 S ATOM 0 H CYS A 2 -7.956 -5.865 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.687 -3.503 -0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.848 -5.012 -0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.382 -5.548 0.425 1.00 0.00 H new ATOM 25 N LEU A 3 -4.864 -3.082 -2.420 1.00 0.00 N ATOM 26 CA LEU A 3 -4.032 -2.628 -3.497 1.00 0.00 C ATOM 27 C LEU A 3 -2.930 -3.643 -3.741 1.00 0.00 C ATOM 28 O LEU A 3 -2.323 -4.157 -2.783 1.00 0.00 O ATOM 29 CB LEU A 3 -3.442 -1.276 -3.155 1.00 0.00 C ATOM 30 CG LEU A 3 -4.432 -0.191 -2.765 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.689 1.047 -2.310 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.358 0.136 -3.922 1.00 0.00 C ATOM 0 H LEU A 3 -4.703 -2.605 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.628 -2.525 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.737 -1.408 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.870 -0.925 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.043 -0.558 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.406 1.820 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.067 0.802 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.058 1.411 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.058 0.915 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.770 0.486 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.912 -0.758 -4.208 1.00 0.00 H new ATOM 44 N LYS A 4 -2.677 -3.918 -5.002 1.00 0.00 N ATOM 45 CA LYS A 4 -1.707 -4.932 -5.410 1.00 0.00 C ATOM 46 C LYS A 4 -0.313 -4.326 -5.564 1.00 0.00 C ATOM 47 O LYS A 4 -0.143 -3.111 -5.479 1.00 0.00 O ATOM 48 CB LYS A 4 -2.118 -5.570 -6.736 1.00 0.00 C ATOM 49 CG LYS A 4 -3.479 -6.239 -6.744 1.00 0.00 C ATOM 50 CD LYS A 4 -3.775 -6.810 -8.121 1.00 0.00 C ATOM 51 CE LYS A 4 -5.158 -7.426 -8.200 1.00 0.00 C ATOM 52 NZ LYS A 4 -5.432 -7.969 -9.547 1.00 0.00 N ATOM 0 H LYS A 4 -3.136 -3.447 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.684 -5.693 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.106 -4.801 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.367 -6.310 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.506 -7.034 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.248 -5.518 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.688 -6.020 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.028 -7.565 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.246 -8.222 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.907 -6.675 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.386 -8.383 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.372 -7.204 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.731 -8.703 -9.775 1.00 0.00 H new ATOM 66 N PHE A 5 0.672 -5.180 -5.805 1.00 0.00 N ATOM 67 CA PHE A 5 2.064 -4.767 -5.940 1.00 0.00 C ATOM 68 C PHE A 5 2.250 -3.834 -7.133 1.00 0.00 C ATOM 69 O PHE A 5 2.068 -4.230 -8.291 1.00 0.00 O ATOM 70 CB PHE A 5 2.977 -5.998 -6.060 1.00 0.00 C ATOM 71 CG PHE A 5 4.441 -5.670 -6.183 1.00 0.00 C ATOM 72 CD1 PHE A 5 5.130 -5.121 -5.121 1.00 0.00 C ATOM 73 CD2 PHE A 5 5.125 -5.901 -7.366 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.465 -4.812 -5.227 1.00 0.00 C ATOM 75 CE2 PHE A 5 6.463 -5.593 -7.479 1.00 0.00 C ATOM 76 CZ PHE A 5 7.136 -5.048 -6.407 1.00 0.00 C ATOM 0 H PHE A 5 0.528 -6.184 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 5 2.343 -4.215 -5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.830 -6.632 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.672 -6.579 -6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.612 -4.931 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.603 -6.328 -8.210 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.988 -4.384 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.984 -5.778 -8.407 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.185 -4.807 -6.492 1.00 0.00 H new ATOM 86 N GLY A 6 2.611 -2.612 -6.850 1.00 0.00 N ATOM 87 CA GLY A 6 2.788 -1.636 -7.883 1.00 0.00 C ATOM 88 C GLY A 6 1.671 -0.620 -7.914 1.00 0.00 C ATOM 89 O GLY A 6 1.770 0.392 -8.612 1.00 0.00 O ATOM 0 H GLY A 6 2.789 -2.270 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.738 -1.123 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.845 -2.139 -8.848 1.00 0.00 H new ATOM 93 N TRP A 7 0.617 -0.860 -7.150 1.00 0.00 N ATOM 94 CA TRP A 7 -0.513 0.057 -7.133 1.00 0.00 C ATOM 95 C TRP A 7 -0.200 1.195 -6.220 1.00 0.00 C ATOM 96 O TRP A 7 0.348 0.983 -5.154 1.00 0.00 O ATOM 97 CB TRP A 7 -1.798 -0.624 -6.674 1.00 0.00 C ATOM 98 CG TRP A 7 -2.367 -1.624 -7.639 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.693 -2.356 -8.571 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.738 -2.014 -7.741 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.561 -3.166 -9.245 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.825 -2.974 -8.756 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.901 -1.639 -7.072 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -5.028 -3.564 -9.119 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -6.093 -2.227 -7.432 1.00 0.00 C ATOM 106 CH2 TRP A 7 -6.149 -3.178 -8.445 1.00 0.00 C ATOM 0 H TRP A 7 0.520 -1.672 -6.540 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.675 0.412 -8.151 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.607 -1.126 -5.725 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.549 0.142 -6.483 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.629 -2.303 -8.750 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.308 -3.811 -9.993 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.868 -0.900 -6.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.074 -4.302 -9.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.000 -1.945 -6.919 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.100 -3.620 -8.703 1.00 0.00 H new ATOM 117 N LYS A 8 -0.540 2.386 -6.626 1.00 0.00 N ATOM 118 CA LYS A 8 -0.212 3.556 -5.845 1.00 0.00 C ATOM 119 C LYS A 8 -1.049 3.698 -4.602 1.00 0.00 C ATOM 120 O LYS A 8 -2.201 3.229 -4.539 1.00 0.00 O ATOM 121 CB LYS A 8 -0.261 4.831 -6.641 1.00 0.00 C ATOM 122 CG LYS A 8 0.831 4.981 -7.660 1.00 0.00 C ATOM 123 CD LYS A 8 0.994 6.437 -7.986 1.00 0.00 C ATOM 124 CE LYS A 8 2.110 6.676 -8.976 1.00 0.00 C ATOM 125 NZ LYS A 8 2.363 8.115 -9.188 1.00 0.00 N ATOM 0 H LYS A 8 -1.044 2.577 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 8 0.820 3.389 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.223 4.888 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.214 5.675 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.766 4.574 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.586 4.418 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.060 6.824 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.197 6.993 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.021 6.197 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.857 6.208 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.136 8.234 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.502 8.569 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.630 8.557 -8.285 1.00 0.00 H new ATOM 139 N CYS A 9 -0.492 4.384 -3.645 1.00 0.00 N ATOM 140 CA CYS A 9 -1.112 4.565 -2.355 1.00 0.00 C ATOM 141 C CYS A 9 -0.515 5.780 -1.667 1.00 0.00 C ATOM 142 O CYS A 9 0.365 6.444 -2.221 1.00 0.00 O ATOM 143 CB CYS A 9 -0.892 3.313 -1.491 1.00 0.00 C ATOM 144 SG CYS A 9 0.857 2.896 -1.237 1.00 0.00 S ATOM 0 H CYS A 9 0.416 4.840 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.183 4.720 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.364 3.465 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.393 2.466 -1.960 1.00 0.00 H new ATOM 149 N ASN A 10 -1.001 6.076 -0.494 1.00 0.00 N ATOM 150 CA ASN A 10 -0.500 7.159 0.309 1.00 0.00 C ATOM 151 C ASN A 10 0.065 6.562 1.567 1.00 0.00 C ATOM 152 O ASN A 10 -0.616 5.781 2.231 1.00 0.00 O ATOM 153 CB ASN A 10 -1.616 8.141 0.682 1.00 0.00 C ATOM 154 CG ASN A 10 -2.217 8.869 -0.500 1.00 0.00 C ATOM 155 OD1 ASN A 10 -1.548 9.151 -1.501 1.00 0.00 O ATOM 156 ND2 ASN A 10 -3.475 9.178 -0.404 1.00 0.00 N ATOM 0 H ASN A 10 -1.769 5.564 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 10 0.255 7.708 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.406 7.597 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.220 8.875 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.940 9.668 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.998 8.931 0.436 1.00 0.00 H new ATOM 163 N PRO A 11 1.293 6.944 1.959 1.00 0.00 N ATOM 164 CA PRO A 11 1.986 6.357 3.132 1.00 0.00 C ATOM 165 C PRO A 11 1.277 6.664 4.458 1.00 0.00 C ATOM 166 O PRO A 11 1.629 6.125 5.510 1.00 0.00 O ATOM 167 CB PRO A 11 3.373 7.013 3.097 1.00 0.00 C ATOM 168 CG PRO A 11 3.174 8.272 2.329 1.00 0.00 C ATOM 169 CD PRO A 11 2.124 7.970 1.298 1.00 0.00 C ATOM 0 HA PRO A 11 2.013 5.269 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.741 7.216 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.105 6.366 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.855 9.082 2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.103 8.591 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.543 8.856 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.563 7.598 0.372 1.00 0.00 H new ATOM 177 N ARG A 12 0.282 7.515 4.379 1.00 0.00 N ATOM 178 CA ARG A 12 -0.530 7.906 5.502 1.00 0.00 C ATOM 179 C ARG A 12 -1.587 6.851 5.816 1.00 0.00 C ATOM 180 O ARG A 12 -2.018 6.715 6.955 1.00 0.00 O ATOM 181 CB ARG A 12 -1.214 9.211 5.187 1.00 0.00 C ATOM 182 CG ARG A 12 -0.281 10.401 5.115 1.00 0.00 C ATOM 183 CD ARG A 12 -1.043 11.654 4.759 1.00 0.00 C ATOM 184 NE ARG A 12 -1.577 11.608 3.385 1.00 0.00 N ATOM 185 CZ ARG A 12 -2.877 11.665 3.037 1.00 0.00 C ATOM 186 NH1 ARG A 12 -3.826 11.724 3.968 1.00 0.00 N ATOM 187 NH2 ARG A 12 -3.213 11.655 1.756 1.00 0.00 N ATOM 0 H ARG A 12 0.009 7.966 3.506 1.00 0.00 H new ATOM 0 HA ARG A 12 0.117 8.013 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.735 9.114 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.972 9.403 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.221 10.534 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.495 10.217 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.865 11.790 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.387 12.518 4.864 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.899 11.525 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.572 11.726 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.808 11.767 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.489 11.604 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.196 11.698 1.486 1.00 0.00 H new ATOM 201 N ASN A 13 -1.985 6.107 4.809 1.00 0.00 N ATOM 202 CA ASN A 13 -3.035 5.099 4.951 1.00 0.00 C ATOM 203 C ASN A 13 -2.727 3.902 4.066 1.00 0.00 C ATOM 204 O ASN A 13 -2.966 3.935 2.860 1.00 0.00 O ATOM 205 CB ASN A 13 -4.402 5.707 4.575 1.00 0.00 C ATOM 206 CG ASN A 13 -5.580 4.744 4.687 1.00 0.00 C ATOM 207 OD1 ASN A 13 -5.599 3.830 5.522 1.00 0.00 O ATOM 208 ND2 ASN A 13 -6.571 4.944 3.853 1.00 0.00 N ATOM 0 H ASN A 13 -1.598 6.176 3.868 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.074 4.766 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.591 6.567 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.350 6.079 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.390 4.337 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.523 5.707 3.177 1.00 0.00 H new ATOM 215 N ASP A 14 -2.169 2.868 4.656 1.00 0.00 N ATOM 216 CA ASP A 14 -1.793 1.663 3.917 1.00 0.00 C ATOM 217 C ASP A 14 -3.047 0.912 3.540 1.00 0.00 C ATOM 218 O ASP A 14 -3.889 0.628 4.399 1.00 0.00 O ATOM 219 CB ASP A 14 -0.911 0.750 4.775 1.00 0.00 C ATOM 220 CG ASP A 14 -0.269 -0.398 4.004 1.00 0.00 C ATOM 221 OD1 ASP A 14 -0.988 -1.266 3.454 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.993 -0.453 3.959 1.00 0.00 O ATOM 0 H ASP A 14 -1.961 2.829 5.654 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.235 1.957 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.125 1.349 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.513 0.338 5.585 1.00 0.00 H new ATOM 227 N LYS A 15 -3.194 0.627 2.275 1.00 0.00 N ATOM 228 CA LYS A 15 -4.350 -0.094 1.780 1.00 0.00 C ATOM 229 C LYS A 15 -3.898 -1.262 0.919 1.00 0.00 C ATOM 230 O LYS A 15 -4.681 -1.845 0.154 1.00 0.00 O ATOM 231 CB LYS A 15 -5.256 0.844 0.970 1.00 0.00 C ATOM 232 CG LYS A 15 -5.849 2.017 1.757 1.00 0.00 C ATOM 233 CD LYS A 15 -6.745 1.558 2.904 1.00 0.00 C ATOM 234 CE LYS A 15 -7.985 0.809 2.424 1.00 0.00 C ATOM 235 NZ LYS A 15 -8.886 1.666 1.616 1.00 0.00 N ATOM 0 H LYS A 15 -2.520 0.885 1.554 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.918 -0.477 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.684 1.242 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.074 0.259 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.040 2.629 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.425 2.650 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.172 0.913 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.054 2.426 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.679 -0.052 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.530 0.425 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.766 1.151 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.107 2.534 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.418 1.916 0.722 1.00 0.00 H new ATOM 249 N CYS A 16 -2.654 -1.625 1.072 1.00 0.00 N ATOM 250 CA CYS A 16 -2.067 -2.692 0.294 1.00 0.00 C ATOM 251 C CYS A 16 -2.424 -4.038 0.914 1.00 0.00 C ATOM 252 O CYS A 16 -2.813 -4.096 2.091 1.00 0.00 O ATOM 253 CB CYS A 16 -0.554 -2.514 0.238 1.00 0.00 C ATOM 254 SG CYS A 16 -0.031 -0.870 -0.354 1.00 0.00 S ATOM 0 H CYS A 16 -2.015 -1.192 1.739 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.461 -2.661 -0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.140 -2.681 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.131 -3.277 -0.415 1.00 0.00 H new ATOM 259 N CYS A 17 -2.332 -5.098 0.129 1.00 0.00 N ATOM 260 CA CYS A 17 -2.651 -6.455 0.589 1.00 0.00 C ATOM 261 C CYS A 17 -1.699 -6.922 1.708 1.00 0.00 C ATOM 262 O CYS A 17 -0.664 -6.295 1.969 1.00 0.00 O ATOM 263 CB CYS A 17 -2.600 -7.434 -0.591 1.00 0.00 C ATOM 264 SG CYS A 17 -3.679 -6.984 -1.999 1.00 0.00 S ATOM 0 H CYS A 17 -2.035 -5.051 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.659 -6.436 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.572 -7.503 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.882 -8.425 -0.236 1.00 0.00 H new ATOM 269 N SER A 18 -2.053 -8.008 2.362 1.00 0.00 N ATOM 270 CA SER A 18 -1.251 -8.556 3.419 1.00 0.00 C ATOM 271 C SER A 18 0.040 -9.137 2.837 1.00 0.00 C ATOM 272 O SER A 18 0.006 -9.939 1.889 1.00 0.00 O ATOM 273 CB SER A 18 -2.058 -9.603 4.181 1.00 0.00 C ATOM 274 OG SER A 18 -3.261 -9.018 4.694 1.00 0.00 O ATOM 0 H SER A 18 -2.907 -8.531 2.170 1.00 0.00 H new ATOM 0 HA SER A 18 -0.972 -7.774 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.302 -10.436 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.463 -10.007 5.000 1.00 0.00 H new ATOM 0 HG SER A 18 -3.774 -9.697 5.180 1.00 0.00 H new ATOM 280 N GLY A 19 1.156 -8.695 3.366 1.00 0.00 N ATOM 281 CA GLY A 19 2.444 -9.093 2.851 1.00 0.00 C ATOM 282 C GLY A 19 2.991 -8.021 1.935 1.00 0.00 C ATOM 283 O GLY A 19 4.097 -8.124 1.402 1.00 0.00 O ATOM 0 H GLY A 19 1.197 -8.055 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.136 -9.266 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.353 -10.034 2.308 1.00 0.00 H new ATOM 287 N LEU A 20 2.227 -6.981 1.781 1.00 0.00 N ATOM 288 CA LEU A 20 2.557 -5.895 0.923 1.00 0.00 C ATOM 289 C LEU A 20 2.493 -4.627 1.778 1.00 0.00 C ATOM 290 O LEU A 20 1.768 -4.599 2.780 1.00 0.00 O ATOM 291 CB LEU A 20 1.501 -5.862 -0.177 1.00 0.00 C ATOM 292 CG LEU A 20 1.908 -5.342 -1.531 1.00 0.00 C ATOM 293 CD1 LEU A 20 2.951 -6.260 -2.134 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.703 -5.283 -2.422 1.00 0.00 C ATOM 0 H LEU A 20 1.336 -6.867 2.263 1.00 0.00 H new ATOM 0 HA LEU A 20 3.546 -5.984 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.123 -6.876 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.668 -5.255 0.178 1.00 0.00 H new ATOM 0 HG LEU A 20 2.330 -4.342 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.245 -5.883 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.824 -6.296 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.536 -7.262 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.994 -4.907 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.279 -6.282 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.041 -4.617 -1.984 1.00 0.00 H new ATOM 306 N LYS A 21 3.234 -3.616 1.431 1.00 0.00 N ATOM 307 CA LYS A 21 3.265 -2.398 2.217 1.00 0.00 C ATOM 308 C LYS A 21 3.219 -1.192 1.319 1.00 0.00 C ATOM 309 O LYS A 21 3.773 -1.206 0.233 1.00 0.00 O ATOM 310 CB LYS A 21 4.555 -2.317 3.036 1.00 0.00 C ATOM 311 CG LYS A 21 4.603 -1.122 3.981 1.00 0.00 C ATOM 312 CD LYS A 21 5.946 -0.968 4.661 1.00 0.00 C ATOM 313 CE LYS A 21 5.955 0.262 5.564 1.00 0.00 C ATOM 314 NZ LYS A 21 5.673 1.512 4.814 1.00 0.00 N ATOM 0 H LYS A 21 3.832 -3.602 0.605 1.00 0.00 H new ATOM 0 HA LYS A 21 2.399 -2.414 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.665 -3.233 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.405 -2.266 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.377 -0.213 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.827 -1.232 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.166 -1.859 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.731 -0.880 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.212 0.138 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.926 0.345 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.493 2.149 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.491 1.284 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.838 1.980 5.220 1.00 0.00 H new ATOM 328 N CYS A 22 2.576 -0.169 1.772 1.00 0.00 N ATOM 329 CA CYS A 22 2.567 1.084 1.069 1.00 0.00 C ATOM 330 C CYS A 22 3.916 1.755 1.303 1.00 0.00 C ATOM 331 O CYS A 22 4.336 1.942 2.461 1.00 0.00 O ATOM 332 CB CYS A 22 1.430 1.970 1.565 1.00 0.00 C ATOM 333 SG CYS A 22 1.255 3.520 0.647 1.00 0.00 S ATOM 0 H CYS A 22 2.040 -0.171 2.640 1.00 0.00 H new ATOM 0 HA CYS A 22 2.407 0.920 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.495 1.414 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.594 2.199 2.618 1.00 0.00 H new ATOM 338 N GLY A 23 4.609 2.058 0.238 1.00 0.00 N ATOM 339 CA GLY A 23 5.931 2.603 0.333 1.00 0.00 C ATOM 340 C GLY A 23 5.976 4.057 0.753 1.00 0.00 C ATOM 341 O GLY A 23 5.045 4.837 0.500 1.00 0.00 O ATOM 0 H GLY A 23 4.271 1.933 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.504 2.012 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.424 2.501 -0.634 1.00 0.00 H new ATOM 345 N SER A 24 7.066 4.414 1.372 1.00 0.00 N ATOM 346 CA SER A 24 7.314 5.735 1.853 1.00 0.00 C ATOM 347 C SER A 24 8.100 6.551 0.810 1.00 0.00 C ATOM 348 O SER A 24 7.765 7.706 0.515 1.00 0.00 O ATOM 349 CB SER A 24 8.079 5.593 3.159 1.00 0.00 C ATOM 350 OG SER A 24 9.063 4.553 3.030 1.00 0.00 O ATOM 0 H SER A 24 7.831 3.766 1.560 1.00 0.00 H new ATOM 0 HA SER A 24 6.384 6.276 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.563 6.536 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.391 5.358 3.971 1.00 0.00 H new ATOM 0 HG SER A 24 9.557 4.464 3.872 1.00 0.00 H new ATOM 356 N ASN A 25 9.125 5.941 0.247 1.00 0.00 N ATOM 357 CA ASN A 25 9.935 6.581 -0.789 1.00 0.00 C ATOM 358 C ASN A 25 9.252 6.428 -2.124 1.00 0.00 C ATOM 359 O ASN A 25 9.294 7.319 -2.974 1.00 0.00 O ATOM 360 CB ASN A 25 11.348 5.988 -0.845 1.00 0.00 C ATOM 361 CG ASN A 25 12.172 6.297 0.389 1.00 0.00 C ATOM 362 OD1 ASN A 25 12.025 7.353 1.008 1.00 0.00 O ATOM 363 ND2 ASN A 25 13.019 5.382 0.772 1.00 0.00 N ATOM 0 H ASN A 25 9.424 4.996 0.487 1.00 0.00 H new ATOM 0 HA ASN A 25 10.033 7.639 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.277 4.907 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.863 6.374 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.585 5.529 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.115 4.520 0.236 1.00 0.00 H new ATOM 370 N HIS A 26 8.619 5.304 -2.300 1.00 0.00 N ATOM 371 CA HIS A 26 7.833 5.034 -3.484 1.00 0.00 C ATOM 372 C HIS A 26 6.431 4.825 -3.007 1.00 0.00 C ATOM 373 O HIS A 26 6.145 3.801 -2.402 1.00 0.00 O ATOM 374 CB HIS A 26 8.319 3.769 -4.212 1.00 0.00 C ATOM 375 CG HIS A 26 9.738 3.803 -4.672 1.00 0.00 C ATOM 376 ND1 HIS A 26 10.147 4.259 -5.905 1.00 0.00 N ATOM 377 CD2 HIS A 26 10.848 3.403 -4.037 1.00 0.00 C ATOM 378 CE1 HIS A 26 11.470 4.120 -5.976 1.00 0.00 C ATOM 379 NE2 HIS A 26 11.951 3.602 -4.857 1.00 0.00 N ATOM 0 H HIS A 26 8.630 4.539 -1.625 1.00 0.00 H new ATOM 0 HA HIS A 26 7.916 5.859 -4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.190 2.915 -3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.678 3.599 -5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.880 2.989 -3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.070 4.393 -6.832 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.926 3.393 -4.642 1.00 0.00 H new ATOM 387 N ASN A 27 5.572 5.792 -3.230 1.00 0.00 N ATOM 388 CA ASN A 27 4.218 5.761 -2.684 1.00 0.00 C ATOM 389 C ASN A 27 3.292 4.855 -3.461 1.00 0.00 C ATOM 390 O ASN A 27 2.336 5.299 -4.135 1.00 0.00 O ATOM 391 CB ASN A 27 3.628 7.168 -2.514 1.00 0.00 C ATOM 392 CG ASN A 27 4.412 8.042 -1.542 1.00 0.00 C ATOM 393 OD1 ASN A 27 4.468 9.265 -1.695 1.00 0.00 O ATOM 394 ND2 ASN A 27 5.003 7.449 -0.524 1.00 0.00 N ATOM 0 H ASN A 27 5.781 6.619 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 27 4.308 5.328 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.595 7.659 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.599 7.082 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.521 8.003 0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.943 6.436 -0.419 1.00 0.00 H new ATOM 401 N TRP A 28 3.616 3.609 -3.410 1.00 0.00 N ATOM 402 CA TRP A 28 2.864 2.563 -3.989 1.00 0.00 C ATOM 403 C TRP A 28 3.075 1.314 -3.175 1.00 0.00 C ATOM 404 O TRP A 28 3.942 1.281 -2.296 1.00 0.00 O ATOM 405 CB TRP A 28 3.207 2.341 -5.487 1.00 0.00 C ATOM 406 CG TRP A 28 4.646 2.061 -5.807 1.00 0.00 C ATOM 407 CD1 TRP A 28 5.478 1.161 -5.214 1.00 0.00 C ATOM 408 CD2 TRP A 28 5.393 2.655 -6.848 1.00 0.00 C ATOM 409 NE1 TRP A 28 6.700 1.198 -5.799 1.00 0.00 N ATOM 410 CE2 TRP A 28 6.677 2.099 -6.808 1.00 0.00 C ATOM 411 CE3 TRP A 28 5.103 3.612 -7.804 1.00 0.00 C ATOM 412 CZ2 TRP A 28 7.672 2.462 -7.679 1.00 0.00 C ATOM 413 CZ3 TRP A 28 6.094 3.980 -8.687 1.00 0.00 C ATOM 414 CH2 TRP A 28 7.371 3.406 -8.619 1.00 0.00 C ATOM 0 H TRP A 28 4.458 3.281 -2.937 1.00 0.00 H new ATOM 0 HA TRP A 28 1.809 2.837 -3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.607 1.509 -5.855 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.899 3.227 -6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.204 0.512 -4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 28 7.506 0.637 -5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.122 4.060 -7.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.655 2.019 -7.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.884 4.722 -9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.130 3.716 -9.322 1.00 0.00 H new ATOM 425 N CYS A 29 2.311 0.332 -3.454 1.00 0.00 N ATOM 426 CA CYS A 29 2.382 -0.921 -2.781 1.00 0.00 C ATOM 427 C CYS A 29 3.615 -1.705 -3.189 1.00 0.00 C ATOM 428 O CYS A 29 3.728 -2.185 -4.324 1.00 0.00 O ATOM 429 CB CYS A 29 1.119 -1.696 -3.053 1.00 0.00 C ATOM 430 SG CYS A 29 -0.366 -0.922 -2.353 1.00 0.00 S ATOM 0 H CYS A 29 1.594 0.370 -4.178 1.00 0.00 H new ATOM 0 HA CYS A 29 2.470 -0.745 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.991 -1.802 -4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.223 -2.701 -2.644 1.00 0.00 H new ATOM 435 N LYS A 30 4.533 -1.791 -2.269 1.00 0.00 N ATOM 436 CA LYS A 30 5.769 -2.505 -2.421 1.00 0.00 C ATOM 437 C LYS A 30 5.678 -3.745 -1.556 1.00 0.00 C ATOM 438 O LYS A 30 4.704 -3.917 -0.827 1.00 0.00 O ATOM 439 CB LYS A 30 6.931 -1.646 -1.912 1.00 0.00 C ATOM 440 CG LYS A 30 7.080 -0.291 -2.583 1.00 0.00 C ATOM 441 CD LYS A 30 8.198 0.540 -1.958 1.00 0.00 C ATOM 442 CE LYS A 30 9.609 0.175 -2.452 1.00 0.00 C ATOM 443 NZ LYS A 30 10.060 -1.200 -2.110 1.00 0.00 N ATOM 0 H LYS A 30 4.437 -1.348 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 30 5.938 -2.754 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.804 -1.490 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.858 -2.203 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.284 -0.433 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.139 0.255 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.013 1.593 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.162 0.420 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.640 0.292 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.319 0.888 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.097 -1.217 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.643 -1.486 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.756 -1.860 -2.854 1.00 0.00 H new ATOM 457 N LEU A 31 6.665 -4.585 -1.613 1.00 0.00 N ATOM 458 CA LEU A 31 6.694 -5.778 -0.795 1.00 0.00 C ATOM 459 C LEU A 31 6.998 -5.395 0.651 1.00 0.00 C ATOM 460 O LEU A 31 7.777 -4.470 0.900 1.00 0.00 O ATOM 461 CB LEU A 31 7.754 -6.748 -1.321 1.00 0.00 C ATOM 462 CG LEU A 31 7.571 -7.233 -2.762 1.00 0.00 C ATOM 463 CD1 LEU A 31 8.761 -8.063 -3.193 1.00 0.00 C ATOM 464 CD2 LEU A 31 6.287 -8.040 -2.904 1.00 0.00 C ATOM 0 H LEU A 31 7.475 -4.472 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 31 5.722 -6.270 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.728 -6.266 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.776 -7.619 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 31 7.499 -6.358 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.617 -8.401 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.666 -7.459 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.858 -8.928 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.179 -8.373 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.328 -8.907 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.434 -7.418 -2.633 1.00 0.00 H new ATOM 476 N HIS A 32 6.364 -6.064 1.588 1.00 0.00 N ATOM 477 CA HIS A 32 6.597 -5.802 3.000 1.00 0.00 C ATOM 478 C HIS A 32 7.716 -6.724 3.476 1.00 0.00 C ATOM 479 O HIS A 32 7.558 -7.953 3.450 1.00 0.00 O ATOM 480 CB HIS A 32 5.309 -6.076 3.811 1.00 0.00 C ATOM 481 CG HIS A 32 5.348 -5.645 5.260 1.00 0.00 C ATOM 482 ND1 HIS A 32 5.975 -6.347 6.269 1.00 0.00 N ATOM 483 CD2 HIS A 32 4.811 -4.552 5.855 1.00 0.00 C ATOM 484 CE1 HIS A 32 5.806 -5.678 7.409 1.00 0.00 C ATOM 485 NE2 HIS A 32 5.099 -4.570 7.212 1.00 0.00 N ATOM 0 H HIS A 32 5.680 -6.797 1.402 1.00 0.00 H new ATOM 0 HA HIS A 32 6.879 -4.759 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.478 -5.569 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.097 -7.145 3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.245 -3.784 5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.193 -5.994 8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.826 -3.879 7.911 1.00 0.00 H new ATOM 493 N LEU A 33 8.832 -6.154 3.853 1.00 0.00 N ATOM 494 CA LEU A 33 9.972 -6.921 4.336 1.00 0.00 C ATOM 495 C LEU A 33 10.245 -6.578 5.783 1.00 0.00 C ATOM 496 O LEU A 33 9.767 -7.308 6.675 1.00 0.00 O ATOM 497 CB LEU A 33 11.263 -6.690 3.503 1.00 0.00 C ATOM 498 CG LEU A 33 11.346 -7.285 2.082 1.00 0.00 C ATOM 499 CD1 LEU A 33 10.392 -6.616 1.118 1.00 0.00 C ATOM 500 CD2 LEU A 33 12.765 -7.187 1.566 1.00 0.00 C ATOM 501 OXT LEU A 33 10.929 -5.559 6.041 1.00 0.00 O ATOM 0 H LEU A 33 8.985 -5.146 3.837 1.00 0.00 H new ATOM 0 HA LEU A 33 9.705 -7.973 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.414 -5.614 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.101 -7.086 4.076 1.00 0.00 H new ATOM 0 HG LEU A 33 11.049 -8.332 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.491 -7.072 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.369 -6.739 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.628 -5.554 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.817 -7.609 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.070 -6.141 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.432 -7.741 2.227 1.00 0.00 H new